4-methyl-2-oxo-N-(2-phenylethyl)-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride

C27H34Cl2N4O2 — CID 172913236

IUPAC4-methyl-2-oxo-N-(2-phenylethyl)-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)N(CCc1ccccc1)Cc1cccnc1.Cl.Cl
InChIInChI=1S/C27H32N4O2.2ClH/c1-21-11-15-30(19-23-9-5-13-28-17-23)26(32)25(21)27(33)31(20-24-10-6-14-29-18-24)16-12-22-7-3-2-4-8-22;;/h2-4,6-8,10-11,14-15,18,23,28H,5,9,12-13,16-17,19-20H2,1H3;2*1H
InChIKeyDZNKGQIGHMWWRE-UHFFFAOYSA-N
MW517.50 g/mol
LogP4.28
Rot. Bonds8

About 4-methyl-2-oxo-N-(2-phenylethyl)-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride

4-methyl-2-oxo-N-(2-phenylethyl)-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 172913236) has the molecular formula C27H34Cl2N4O2 and a molecular weight of 517.50 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-(2-phenylethyl)-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-methyl-2-oxo-N-(2-phenylethyl)-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID172913236
Molecular FormulaC27H34Cl2N4O2
Molecular Weight517.50 g/mol
Exact Mass516.21
IUPAC Name4-methyl-2-oxo-N-(2-phenylethyl)-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)N(CCc1ccccc1)Cc1cccnc1.Cl.Cl
InChIInChI=1S/C27H32N4O2.2ClH/c1-21-11-15-30(19-23-9-5-13-28-17-23)26(32)25(21)27(33)31(20-24-10-6-14-29-18-24)16-12-22-7-3-2-4-8-22;;/h2-4,6-8,10-11,14-15,18,23,28H,5,9,12-13,16-17,19-20H2,1H3;2*1H
InChIKeyDZNKGQIGHMWWRE-UHFFFAOYSA-N
XLogP4.28
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-oxo-N-(2-phenylethyl)-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172663149
N-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 172673934
N-ethyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 172655490
N-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172913238
N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172667682
N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172911512
4-methyl-2-oxo-N-[1-(2-phenylethyl)piperidin-4-yl]-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172912500
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172912358
N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 172913048
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172912471
4-methyl-1-(piperidin-3-ylmethyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one;dihydrochloride
CID 172911350
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172912715

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-(2-phenylethyl)-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 4-methyl-2-oxo-N-(2-phenylethyl)-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride (CID 172913236) is 4-methyl-2-oxo-N-(2-phenylethyl)-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 4-methyl-2-oxo-N-(2-phenylethyl)-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 4-methyl-2-oxo-N-(2-phenylethyl)-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride is Cc1ccn(CC2CCCNC2)c(=O)c1C(=O)N(CCc1ccccc1)Cc1cccnc1.Cl.Cl.
What is the InChIKey of 4-methyl-2-oxo-N-(2-phenylethyl)-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is DZNKGQIGHMWWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2.2ClH/c1-21-11-15-30(19-23-9-5-13-28-17-23)26(32)25(21)27(33)31(20-24-10-6-14-29-18-24)16-12-22-7-3-2-4-8-22;;/h2-4,6-8,10-11,14-15,18,23,28H,5,9,12-13,16-17,19-20H2,1H3;2*1H.
What are the key properties of 4-methyl-2-oxo-N-(2-phenylethyl)-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
4-methyl-2-oxo-N-(2-phenylethyl)-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 517.50 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-(2-phenylethyl)-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 172913236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).